1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H31N5O/c1-18(2)21-6-8-22(9-7-21)30-19(3)16-23(20(30)4)24(31)17-28-12-14-29(15-13-28)25-26-10-5-11-27-25/h5-11,16,18H,12-15,17H2,1-4H3